W8F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | O | sing | 1.43Å | 1.36Å | |
O | C6 | sing | 1.36Å | 1.38Å | |
C5 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
N | C8 | sing | 1.47Å | 1.51Å | |
C4 | C8 | sing | 1.51Å | 1.44Å | |
C4 | C3 | doub | 1.38Å | 1.33Å | Aromatic |
C1 | C | sing | 1.51Å | 1.48Å | |
C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
C7 | H1 | sing | 1.09Å | 1.10Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.08Å | 1.08Å | |
C3 | H7 | sing | 1.08Å | 1.08Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
N | H9 | sing | 1.01Å | 1.00Å | |
N | H10 | sing | 1.01Å | 1.00Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C | H13 | sing | 1.09Å | 1.10Å | |
C | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | O | C6 | 117.7° | 117.0° |
O | C7 | H1 | 109.5° | 109.4° |
O | C7 | H2 | 109.4° | 109.4° |
O | C7 | H3 | 109.4° | 109.5° |
O | C6 | C5 | 125.1° | 120.0° |
O | C6 | C1 | 116.2° | 120.1° |
C6 | C5 | C4 | 118.4° | 119.9° |
C5 | C6 | C1 | 118.7° | 119.9° |
C6 | C5 | H6 | 120.8° | 120.1° |
C5 | C4 | C8 | 121.0° | 119.9° |
C5 | C4 | C3 | 123.6° | 120.1° |
C4 | C5 | H6 | 120.8° | 120.1° |
C6 | C1 | C | 119.1° | 120.0° |
C6 | C1 | C2 | 119.5° | 120.0° |
N | C8 | C4 | 106.5° | 109.5° |
N | C8 | H4 | 110.2° | 109.5° |
N | C8 | H5 | 110.2° | 109.4° |
C8 | N | H9 | 109.5° | 111.0° |
C8 | N | H10 | 109.5° | 111.0° |
C8 | C4 | C3 | 115.2° | 120.0° |
C4 | C8 | H4 | 110.2° | 109.5° |
C4 | C8 | H5 | 110.2° | 109.5° |
C4 | C3 | C2 | 117.7° | 120.1° |
C4 | C3 | H7 | 121.2° | 120.0° |
C | C1 | C2 | 121.2° | 120.0° |
C1 | C | H12 | 109.5° | 109.4° |
C1 | C | H13 | 109.5° | 109.5° |
C1 | C | H14 | 109.4° | 109.4° |
C1 | C2 | C3 | 122.1° | 120.0° |
C1 | C2 | H8 | 119.0° | 119.9° |
C2 | C3 | H7 | 121.1° | 119.9° |
C3 | C2 | H8 | 119.0° | 120.0° |
H1 | C7 | H2 | 109.4° | 109.4° |
H1 | C7 | H3 | 109.5° | 109.5° |
H2 | C7 | H3 | 109.5° | 109.5° |
H4 | C8 | H5 | 109.5° | 109.5° |
H9 | N | H10 | 109.5° | 111.0° |
H12 | C | H13 | 109.4° | 109.5° |
H12 | C | H14 | 109.5° | 109.5° |
H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C7 | O | C6 | C5 | 27.7° | 0.0° |
C7 | O | C6 | C1 | 151.2° | 180.0° |
O | C7 | H1 | H2 | 120.0° | 119.9° |
O | C7 | H1 | H3 | 120.0° | 120.0° |
O | C7 | H2 | H3 | 120.0° | 120.0° |
O | C6 | C5 | C1 | 179.0° | 180.0° |
O | C6 | C5 | C4 | 177.8° | 180.0° |
O | C6 | C1 | C | 7.7° | 0.0° |
O | C6 | C1 | C2 | 177.0° | 179.8° |
C6 | O | C7 | H1 | 180.0° | 60.0° |
C6 | O | C7 | H2 | 60.0° | 59.9° |
C6 | O | C7 | H3 | 60.0° | 180.0° |
O | C6 | C5 | H6 | 2.2° | 0.0° |
C6 | C5 | C4 | H6 | 180.0° | 180.0° |
C6 | C5 | C4 | C8 | 174.2° | 180.0° |
C6 | C5 | C4 | C3 | 1.0° | 0.2° |
C5 | C6 | C1 | C | 173.3° | 180.0° |
C5 | C6 | C1 | C2 | 2.1° | 0.2° |
C4 | C5 | C6 | C1 | 1.2° | 0.0° |
C5 | C4 | C8 | N | 14.0° | 90.0° |
C5 | C4 | C8 | C3 | 175.6° | 179.9° |
C5 | C4 | C3 | C2 | 1.6° | 0.2° |
C5 | C4 | C8 | H4 | 133.5° | 149.9° |
C5 | C4 | C8 | H5 | 105.6° | 29.9° |
C5 | C4 | C3 | H7 | 178.4° | 180.0° |
C6 | C1 | C | C2 | 175.3° | 179.8° |
C6 | C1 | C2 | C3 | 2.8° | 0.2° |
C1 | C6 | C5 | H6 | 178.8° | 180.0° |
C6 | C1 | C2 | H8 | 177.2° | 179.8° |
C6 | C1 | C | H12 | 92.3° | 89.8° |
C6 | C1 | C | H13 | 147.7° | 30.2° |
C6 | C1 | C | H14 | 27.7° | 150.2° |
N | C8 | C4 | H4 | 119.5° | 120.0° |
N | C8 | C4 | H5 | 119.6° | 119.9° |
N | C8 | C4 | C3 | 161.6° | 89.8° |
N | C8 | H4 | H5 | 121.4° | 119.9° |
C8 | N | H9 | H10 | 120.0° | 123.9° |
C8 | C4 | C3 | C2 | 173.8° | 179.9° |
C4 | C8 | H4 | H5 | 121.3° | 120.0° |
C8 | C4 | C5 | H6 | 5.8° | 0.1° |
C8 | C4 | C3 | H7 | 6.2° | 0.1° |
C4 | C8 | N | H9 | 180.0° | 56.1° |
C4 | C8 | N | H10 | 60.0° | 180.0° |
C4 | C3 | C2 | C1 | 2.5° | 0.0° |
C4 | C3 | C2 | H7 | 180.0° | 179.8° |
C3 | C4 | C8 | H4 | 42.1° | 30.2° |
C3 | C4 | C8 | H5 | 78.8° | 150.2° |
C3 | C4 | C5 | H6 | 179.0° | 179.8° |
C4 | C3 | C2 | H8 | 177.5° | 180.0° |
C | C1 | C2 | C3 | 172.4° | 180.0° |
C | C1 | C2 | H8 | 7.6° | 0.1° |
C1 | C | H12 | H13 | 120.0° | 120.0° |
C1 | C | H12 | H14 | 120.0° | 119.9° |
C1 | C | H13 | H14 | 120.0° | 120.0° |
C1 | C2 | C3 | H8 | 180.0° | 179.9° |
C1 | C2 | C3 | H7 | 177.5° | 179.8° |
C2 | C1 | C | H12 | 92.5° | 90.0° |
C2 | C1 | C | H13 | 27.5° | 150.0° |
C2 | C1 | C | H14 | 147.5° | 29.9° |
H1 | C7 | H2 | H3 | 120.0° | 120.1° |
H4 | C8 | N | H9 | 60.5° | 64.0° |
H4 | C8 | N | H10 | 59.5° | 59.9° |
H5 | C8 | N | H9 | 60.5° | 176.1° |
H5 | C8 | N | H10 | 179.5° | 60.1° |
H7 | C3 | C2 | H8 | 2.5° | 0.3° |
H12 | C | H13 | H14 | 120.0° | 120.1° |